Showing NP-Card for Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol (NP0091999)
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Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2022-05-11 18:54:21 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2022-05-11 18:54:21 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0091999 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol, also known as a-D-mannosylchitobiosyldiphosphodolichol, belongs to the class of organic compounds known as polyprenyl phospho carbohydrates. These are polyprenyl phosphates with a carbohydrate moiety attached to it. Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol is an extremely weak basic (essentially neutral) compound (based on its pKa). It was first documented in 2000 (PMID: 11413487). Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol exists in all eukaryotes, ranging from yeast to humans (PMID: 16902246) (PMID: 17374880) (PMID: 20044567). | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0091999 (Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol)Mrv0541 02241203532D 128130 0 0 1 0 999 V2000 2.0691 -9.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4995 -10.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2148 -10.9993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7858 -11.0020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2162 -11.8244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7873 -11.8270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5025 -12.2382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0706 -10.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 -12.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 -13.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9314 -12.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9285 -10.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6590 -6.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3599 -5.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3336 -4.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3978 -10.4176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0348 -11.1584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9377 -9.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2116 -11.2143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1147 -9.7887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7516 -10.5295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2209 -10.3615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7436 -10.2225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3800 -10.9630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2841 -9.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5568 -11.0183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4610 -9.5926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0973 -10.3331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6546 -9.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0176 -8.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8487 -11.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4948 -11.8432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 -11.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8394 -11.6482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5185 -10.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0015 -8.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3652 -8.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1318 -12.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5918 -13.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3087 -12.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4757 -12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9352 -13.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6526 -12.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9080 -9.4705 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6353 -9.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2975 -8.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1807 -9.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1544 -8.2564 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.3298 -8.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9790 -8.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1281 -7.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8289 -6.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8026 -6.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5035 -5.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4772 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2308 -6.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9317 -5.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.4269 -3.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.7420 -3.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0012 -3.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.3164 -3.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3711 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5757 -3.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.2782 -2.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.5932 -3.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.8526 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1677 -3.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.2223 -2.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.0189 -3.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.8907 -3.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.1500 -3.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.4650 -3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5198 -2.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.7243 -3.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1703 -4.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4855 -4.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7447 -4.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0598 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1145 -3.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3191 -4.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0216 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3367 -4.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5960 -4.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9111 -4.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9658 -3.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8730 -3.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1881 -4.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4474 -3.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7624 -4.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8171 -2.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0394 -3.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.2986 -3.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6137 -4.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.6685 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6341 -4.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8934 -4.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2085 -4.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2632 -3.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4678 -4.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7829 -4.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0422 -4.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3572 -5.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4120 -3.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6165 -4.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0625 -5.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3777 -5.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6368 -5.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9520 -5.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0067 -4.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2112 -5.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9138 -5.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2289 -5.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4882 -5.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 -5.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8580 -4.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7652 -4.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0803 -5.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3395 -4.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6546 -5.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7094 -4.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9316 -5.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1908 -4.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5059 -5.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5606 -3.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5263 -5.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7856 -5.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1007 -6.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1554 -4.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 7 6 1 0 0 0 0 4 8 1 1 0 0 0 1 8 1 0 0 0 0 6 9 1 6 0 0 0 7 10 1 1 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 21 20 1 0 0 0 0 16 22 1 1 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 28 27 1 0 0 0 0 28 22 1 6 0 0 0 20 29 1 1 0 0 0 30 29 1 0 0 0 0 21 12 1 6 0 0 0 19 31 1 1 0 0 0 17 32 1 6 0 0 0 26 33 1 1 0 0 0 24 34 1 6 0 0 0 23 35 1 1 0 0 0 27 36 1 1 0 0 0 37 36 1 0 0 0 0 38 32 1 0 0 0 0 39 38 1 0 0 0 0 40 38 2 0 0 0 0 41 34 1 0 0 0 0 42 41 1 0 0 0 0 43 41 2 0 0 0 0 45 44 2 0 0 0 0 46 44 1 0 0 0 0 47 44 1 0 0 0 0 35 44 1 0 0 0 0 49 48 2 0 0 0 0 50 48 1 0 0 0 0 51 48 1 0 0 0 0 47 48 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 54 1 0 0 0 0 57 56 1 0 0 0 0 13 57 1 0 0 0 0 59 58 2 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 58 1 0 0 0 0 63 61 1 0 0 0 0 65 64 2 0 0 0 0 66 65 1 0 0 0 0 67 66 1 0 0 0 0 68 64 1 0 0 0 0 58 67 1 0 0 0 0 64 69 1 0 0 0 0 70 63 2 0 0 0 0 71 70 1 0 0 0 0 72 71 1 0 0 0 0 73 63 1 0 0 0 0 74 72 1 0 0 0 0 76 75 2 0 0 0 0 77 76 1 0 0 0 0 78 77 1 0 0 0 0 79 75 1 0 0 0 0 80 78 1 0 0 0 0 82 81 2 0 0 0 0 83 82 1 0 0 0 0 84 83 1 0 0 0 0 85 81 1 0 0 0 0 75 84 1 0 0 0 0 87 86 2 0 0 0 0 88 87 1 0 0 0 0 89 88 1 0 0 0 0 90 86 1 0 0 0 0 81 89 1 0 0 0 0 91 74 2 0 0 0 0 92 91 1 0 0 0 0 93 92 1 0 0 0 0 94 74 1 0 0 0 0 86 93 1 0 0 0 0 95 80 2 0 0 0 0 96 95 1 0 0 0 0 97 96 1 0 0 0 0 98 80 1 0 0 0 0 99 97 1 0 0 0 0 100 99 2 0 0 0 0 101100 1 0 0 0 0 102101 1 0 0 0 0 103 99 1 0 0 0 0 104102 1 0 0 0 0 106105 2 0 0 0 0 107106 1 0 0 0 0 108107 1 0 0 0 0 109105 1 0 0 0 0 110108 1 0 0 0 0 112111 2 0 0 0 0 113112 1 0 0 0 0 114113 1 0 0 0 0 115111 1 0 0 0 0 105114 1 0 0 0 0 117116 2 0 0 0 0 118117 1 0 0 0 0 119118 1 0 0 0 0 120116 1 0 0 0 0 111119 1 0 0 0 0 121104 2 0 0 0 0 122121 1 0 0 0 0 123122 1 0 0 0 0 124104 1 0 0 0 0 116123 1 0 0 0 0 125110 2 0 0 0 0 126125 1 0 0 0 0 127126 1 0 0 0 0 128110 1 0 0 0 0 14127 1 0 0 0 0 M END 3D MOL for NP0091999 (Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol)RDKit 3D 298300 0 0 0 0 0 0 0 0999 V2000 5.3128 -0.2582 5.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3324 0.5024 4.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 -0.0631 3.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6731 1.8717 4.1861 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 2.6327 2.9836 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6875 3.7350 2.8941 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5393 3.3632 3.4985 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9134 4.2011 4.3457 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7423 3.7945 5.7759 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9009 4.4046 6.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6717 3.9626 7.9102 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 4.3574 6.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4435 3.7778 5.9430 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6410 4.6418 5.9864 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0721 3.8613 6.4908 P 0 0 1 0 0 5 0 0 0 0 0 0 -1.7811 2.6933 7.3742 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 4.9953 7.3306 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 3.4134 5.0698 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2106 2.4327 5.3224 P 0 0 2 0 0 5 0 0 0 0 0 0 -5.5005 3.1763 5.0457 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 1.9793 6.9751 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 1.0261 4.4418 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2284 0.5988 3.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8761 -0.7173 3.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9590 -1.3890 2.4157 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1451 -1.6758 3.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3964 -0.9952 1.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3368 -1.1116 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8293 -0.9180 -1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 -0.1190 -2.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1777 0.7147 -2.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 -0.1802 -3.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5893 0.9774 -4.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7989 2.1060 -4.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8851 3.3600 -4.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9200 3.6014 -3.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1987 4.5420 -4.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 4.4425 -6.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 3.7197 -5.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8289 4.3908 -5.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 5.8404 -6.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5022 3.7695 -5.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7099 2.2999 -5.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 1.6038 -5.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9874 0.5663 -5.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1525 0.1397 -7.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2253 -0.0941 -5.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3895 -0.1160 -6.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 -0.8116 -5.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 -1.9333 -5.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8351 -2.7330 -7.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -2.4478 -4.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3355 -3.8293 -4.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7435 -4.2064 -3.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4896 -5.1673 -2.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0959 -6.1228 -3.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5630 -5.2561 -1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9106 -5.0741 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4705 -5.0785 1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8263 -5.8248 2.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8301 -6.9068 1.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0801 -5.7139 3.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9628 -4.7061 3.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -4.5592 4.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 -4.8951 4.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3509 -5.4014 2.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7535 -4.8177 5.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -3.9002 4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7944 -4.1922 3.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -4.8428 3.8335 C 0 0 0 0 0 0 0 0 0 0 0 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0 102271 1 0 102272 1 0 102273 1 0 125295 1 6 126296 1 0 123293 1 6 124294 1 0 121291 1 6 122292 1 0 M END 3D SDF for NP0091999 (Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol)Mrv0541 02241203532D 128130 0 0 1 0 999 V2000 2.0691 -9.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4995 -10.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2148 -10.9993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7858 -11.0020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2162 -11.8244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7873 -11.8270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5025 -12.2382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0706 -10.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 -12.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 -13.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9314 -12.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9285 -10.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6590 -6.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3599 -5.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3336 -4.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3978 -10.4176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0348 -11.1584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9377 -9.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2116 -11.2143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1147 -9.7887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7516 -10.5295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2209 -10.3615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7436 -10.2225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3800 -10.9630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2841 -9.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5568 -11.0183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4610 -9.5926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0973 -10.3331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6546 -9.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0176 -8.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8487 -11.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4948 -11.8432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 -11.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8394 -11.6482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5185 -10.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0015 -8.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3652 -8.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1318 -12.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5918 -13.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3087 -12.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4757 -12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9352 -13.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6526 -12.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9080 -9.4705 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6353 -9.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2975 -8.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1807 -9.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1544 -8.2564 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.3298 -8.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9790 -8.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1281 -7.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8289 -6.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8026 -6.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5035 -5.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4772 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2308 -6.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9317 -5.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.4269 -3.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.7420 -3.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0012 -3.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.3164 -3.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3711 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5757 -3.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.2782 -2.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.5932 -3.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.8526 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1677 -3.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.2223 -2.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.0189 -3.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.8907 -3.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.1500 -3.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.4650 -3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5198 -2.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.7243 -3.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1703 -4.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4855 -4.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7447 -4.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0598 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1145 -3.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3191 -4.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0216 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3367 -4.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5960 -4.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9111 -4.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9658 -3.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8730 -3.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1881 -4.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4474 -3.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7624 -4.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8171 -2.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0394 -3.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.2986 -3.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6137 -4.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.6685 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6341 -4.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8934 -4.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2085 -4.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2632 -3.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4678 -4.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7829 -4.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0422 -4.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3572 -5.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4120 -3.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6165 -4.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0625 -5.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3777 -5.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6368 -5.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9520 -5.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0067 -4.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2112 -5.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9138 -5.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2289 -5.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4882 -5.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 -5.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8580 -4.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7652 -4.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0803 -5.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3395 -4.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6546 -5.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7094 -4.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9316 -5.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1908 -4.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5059 -5.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5606 -3.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5263 -5.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7856 -5.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1007 -6.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1554 -4.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 7 6 1 0 0 0 0 4 8 1 1 0 0 0 1 8 1 0 0 0 0 6 9 1 6 0 0 0 7 10 1 1 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 21 20 1 0 0 0 0 16 22 1 1 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 28 27 1 0 0 0 0 28 22 1 6 0 0 0 20 29 1 1 0 0 0 30 29 1 0 0 0 0 21 12 1 6 0 0 0 19 31 1 1 0 0 0 17 32 1 6 0 0 0 26 33 1 1 0 0 0 24 34 1 6 0 0 0 23 35 1 1 0 0 0 27 36 1 1 0 0 0 37 36 1 0 0 0 0 38 32 1 0 0 0 0 39 38 1 0 0 0 0 40 38 2 0 0 0 0 41 34 1 0 0 0 0 42 41 1 0 0 0 0 43 41 2 0 0 0 0 45 44 2 0 0 0 0 46 44 1 0 0 0 0 47 44 1 0 0 0 0 35 44 1 0 0 0 0 49 48 2 0 0 0 0 50 48 1 0 0 0 0 51 48 1 0 0 0 0 47 48 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 54 1 0 0 0 0 57 56 1 0 0 0 0 13 57 1 0 0 0 0 59 58 2 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 58 1 0 0 0 0 63 61 1 0 0 0 0 65 64 2 0 0 0 0 66 65 1 0 0 0 0 67 66 1 0 0 0 0 68 64 1 0 0 0 0 58 67 1 0 0 0 0 64 69 1 0 0 0 0 70 63 2 0 0 0 0 71 70 1 0 0 0 0 72 71 1 0 0 0 0 73 63 1 0 0 0 0 74 72 1 0 0 0 0 76 75 2 0 0 0 0 77 76 1 0 0 0 0 78 77 1 0 0 0 0 79 75 1 0 0 0 0 80 78 1 0 0 0 0 82 81 2 0 0 0 0 83 82 1 0 0 0 0 84 83 1 0 0 0 0 85 81 1 0 0 0 0 75 84 1 0 0 0 0 87 86 2 0 0 0 0 88 87 1 0 0 0 0 89 88 1 0 0 0 0 90 86 1 0 0 0 0 81 89 1 0 0 0 0 91 74 2 0 0 0 0 92 91 1 0 0 0 0 93 92 1 0 0 0 0 94 74 1 0 0 0 0 86 93 1 0 0 0 0 95 80 2 0 0 0 0 96 95 1 0 0 0 0 97 96 1 0 0 0 0 98 80 1 0 0 0 0 99 97 1 0 0 0 0 100 99 2 0 0 0 0 101100 1 0 0 0 0 102101 1 0 0 0 0 103 99 1 0 0 0 0 104102 1 0 0 0 0 106105 2 0 0 0 0 107106 1 0 0 0 0 108107 1 0 0 0 0 109105 1 0 0 0 0 110108 1 0 0 0 0 112111 2 0 0 0 0 113112 1 0 0 0 0 114113 1 0 0 0 0 115111 1 0 0 0 0 105114 1 0 0 0 0 117116 2 0 0 0 0 118117 1 0 0 0 0 119118 1 0 0 0 0 120116 1 0 0 0 0 111119 1 0 0 0 0 121104 2 0 0 0 0 122121 1 0 0 0 0 123122 1 0 0 0 0 124104 1 0 0 0 0 116123 1 0 0 0 0 125110 2 0 0 0 0 126125 1 0 0 0 0 127126 1 0 0 0 0 128110 1 0 0 0 0 14127 1 0 0 0 0 M END > <DATABASE_ID> NP0091999 > <DATABASE_NAME> NP-MRD > <SMILES> OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O > <INCHI_IDENTIFIER> InChI=1S/C102H170N2O22P2/c1-70(2)35-20-36-71(3)37-21-38-72(4)39-22-40-73(5)41-23-42-74(6)43-24-44-75(7)45-25-46-76(8)47-26-48-77(9)49-27-50-78(10)51-28-52-79(11)53-29-54-80(12)55-30-56-81(13)57-31-58-82(14)59-32-60-83(15)61-33-62-84(16)63-34-64-85(17)65-66-119-127(115,116)126-128(117,118)125-101-92(104-87(19)109)95(112)98(90(69-107)122-101)123-100-91(103-86(18)108)94(111)99(89(68-106)121-100)124-102-97(114)96(113)93(110)88(67-105)120-102/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,85,88-102,105-107,110-114H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-69H2,1-19H3,(H,103,108)(H,104,109)(H,115,116)(H,117,118)/b71-37+,72-39+,73-41+,74-43+,75-45+,76-47+,77-49+,78-51+,79-53+,80-55+,81-57+,82-59+,83-61+,84-63+/t85?,88-,89-,90-,91-,92-,93-,94-,95-,96+,97+,98-,99-,100+,101+,102+/m1/s1 > <INCHI_KEY> WFPHPSFEEKVIHM-OXIGOQSHSA-N > <FORMULA> C102H170N2O22P2 > <MOLECULAR_WEIGHT> 1838.3889 > <EXACT_MASS> 1837.172048158 > <JCHEM_ACCEPTOR_COUNT> 19 > <JCHEM_AVERAGE_POLARIZABILITY> 218.0194551991465 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 12 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> {[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}[({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid > <ALOGPS_LOGP> 7.82 > <JCHEM_LOGP> 19.28894755166667 > <ALOGPS_LOGS> -6.32 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 3 > <JCHEM_PHYSIOLOGICAL_CHARGE> -2 > <JCHEM_PKA> 3.171781737140521 > <JCHEM_PKA_STRONGEST_ACIDIC> 1.7444953207900582 > <JCHEM_PKA_STRONGEST_BASIC> -3.52536536954484 > <JCHEM_POLAR_SURFACE_AREA> 368.48 > <JCHEM_REFRACTIVITY> 524.6419 > <JCHEM_ROTATABLE_BOND_COUNT> 62 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 8.77e-04 g/l > <JCHEM_TRADITIONAL_IUPAC> [(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy(hydroxy)phosphoryl}oxy)phosphinic acid > <JCHEM_VEBER_RULE> 0 $$$$ PDB for NP0091999 (Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol)HEADER PROTEIN 24-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-FEB-12 0 HETATM 1 O UNK 0 3.862 -18.229 0.000 0.00 0.00 O+0 HETATM 2 O UNK 0 6.532 -19.764 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 7.868 -20.532 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 5.200 -20.537 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 7.870 -22.072 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 5.203 -22.077 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 6.538 -22.845 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 3.865 -19.769 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 3.871 -22.849 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 6.541 -24.385 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 9.205 -22.840 0.000 0.00 0.00 O+0 HETATM 12 O UNK 0 9.200 -19.760 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 27.363 -11.351 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 28.672 -10.539 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 28.623 -9.000 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 13.809 -19.446 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 13.132 -20.829 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 12.950 -18.168 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 11.595 -20.933 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 11.414 -18.272 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 10.736 -19.655 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 15.346 -19.341 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 20.055 -19.082 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 19.376 -20.464 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 19.197 -17.803 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 17.839 -20.567 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 17.661 -17.906 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 16.982 -19.288 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 10.555 -16.994 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 11.233 -15.611 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 10.918 -22.316 0.000 0.00 0.00 O+0 HETATM 32 N UNK 0 13.990 -22.107 0.000 0.00 0.00 N+0 HETATM 33 O UNK 0 17.160 -21.950 0.000 0.00 0.00 O+0 HETATM 34 N UNK 0 20.234 -21.743 0.000 0.00 0.00 N+0 HETATM 35 O UNK 0 21.501 -19.036 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 16.803 -16.627 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 17.482 -15.245 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 13.313 -23.490 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 14.171 -24.768 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 11.776 -23.595 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 19.555 -23.126 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 20.412 -24.405 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 18.018 -23.229 0.000 0.00 0.00 O+0 HETATM 44 P UNK 0 22.228 -17.678 0.000 0.00 0.00 P+0 HETATM 45 O UNK 0 23.586 -18.405 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 22.955 -16.320 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 20.871 -16.951 0.000 0.00 0.00 O+0 HETATM 48 P UNK 0 20.822 -15.412 0.000 0.00 0.00 P+0 HETATM 49 O UNK 0 19.282 -15.461 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 22.361 -15.363 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 20.772 -13.873 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 22.081 -13.061 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 22.032 -11.521 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 23.340 -10.709 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 23.291 -9.170 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 24.697 -11.436 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 26.006 -10.624 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 97.864 -5.845 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 96.585 -6.704 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 95.202 -6.026 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 93.924 -6.884 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 97.759 -4.309 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 92.541 -6.206 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 103.186 -5.484 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 101.907 -6.343 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 100.525 -5.665 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 99.246 -6.523 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 103.082 -3.948 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 104.569 -6.162 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 91.263 -7.065 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 89.880 -6.387 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 88.601 -7.245 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 92.437 -4.670 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 87.219 -6.567 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 71.251 -7.651 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 69.973 -8.509 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 68.590 -7.831 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 67.312 -8.689 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 71.147 -6.114 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 65.929 -8.012 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 76.574 -7.289 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 75.295 -8.148 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 73.913 -7.470 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 72.634 -8.329 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 76.469 -5.753 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 81.896 -6.929 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 80.618 -7.787 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 79.235 -7.109 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 77.956 -7.967 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 81.792 -5.392 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 85.940 -7.426 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 84.557 -6.748 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 83.279 -7.606 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 87.115 -5.031 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 64.650 -8.870 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 63.268 -8.192 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 61.989 -9.051 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 65.825 -6.475 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 60.607 -8.373 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 59.328 -9.231 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 57.945 -8.553 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 56.667 -9.412 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 60.502 -6.836 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 55.284 -8.734 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 39.317 -9.817 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 38.038 -10.675 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 36.655 -9.997 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 35.377 -10.856 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 39.213 -8.280 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 33.994 -10.178 0.000 0.00 0.00 C+0 HETATM 111 C UNK 0 44.639 -9.456 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 43.361 -10.314 0.000 0.00 0.00 C+0 HETATM 113 C UNK 0 41.978 -9.636 0.000 0.00 0.00 C+0 HETATM 114 C UNK 0 40.699 -10.495 0.000 0.00 0.00 C+0 HETATM 115 C UNK 0 44.535 -7.919 0.000 0.00 0.00 C+0 HETATM 116 C UNK 0 49.962 -9.095 0.000 0.00 0.00 C+0 HETATM 117 C UNK 0 48.683 -9.953 0.000 0.00 0.00 C+0 HETATM 118 C UNK 0 47.300 -9.275 0.000 0.00 0.00 C+0 HETATM 119 C UNK 0 46.022 -10.134 0.000 0.00 0.00 C+0 HETATM 120 C UNK 0 49.858 -7.558 0.000 0.00 0.00 C+0 HETATM 121 C UNK 0 54.006 -9.592 0.000 0.00 0.00 C+0 HETATM 122 C UNK 0 52.623 -8.914 0.000 0.00 0.00 C+0 HETATM 123 C UNK 0 51.344 -9.773 0.000 0.00 0.00 C+0 HETATM 124 C UNK 0 55.180 -7.197 0.000 0.00 0.00 C+0 HETATM 125 C UNK 0 32.716 -11.036 0.000 0.00 0.00 C+0 HETATM 126 C UNK 0 31.333 -10.358 0.000 0.00 0.00 C+0 HETATM 127 C UNK 0 30.055 -11.217 0.000 0.00 0.00 C+0 HETATM 128 C UNK 0 33.890 -8.641 0.000 0.00 0.00 C+0 CONECT 1 8 CONECT 2 3 4 CONECT 3 2 5 12 CONECT 4 2 6 8 CONECT 5 3 7 11 CONECT 6 4 7 9 CONECT 7 5 6 10 CONECT 8 4 1 CONECT 9 6 CONECT 10 7 CONECT 11 5 CONECT 12 3 21 CONECT 13 14 57 CONECT 14 13 15 127 CONECT 15 14 CONECT 16 17 18 22 CONECT 17 16 19 32 CONECT 18 16 20 CONECT 19 17 21 31 CONECT 20 18 21 29 CONECT 21 19 20 12 CONECT 22 16 28 CONECT 23 24 25 35 CONECT 24 23 26 34 CONECT 25 23 27 CONECT 26 24 28 33 CONECT 27 25 28 36 CONECT 28 26 27 22 CONECT 29 20 30 CONECT 30 29 CONECT 31 19 CONECT 32 17 38 CONECT 33 26 CONECT 34 24 41 CONECT 35 23 44 CONECT 36 27 37 CONECT 37 36 CONECT 38 32 39 40 CONECT 39 38 CONECT 40 38 CONECT 41 34 42 43 CONECT 42 41 CONECT 43 41 CONECT 44 45 46 47 35 CONECT 45 44 CONECT 46 44 CONECT 47 44 48 CONECT 48 49 50 51 47 CONECT 49 48 CONECT 50 48 CONECT 51 48 52 CONECT 52 51 53 CONECT 53 52 54 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 57 CONECT 57 56 13 CONECT 58 59 62 67 CONECT 59 58 60 CONECT 60 59 61 CONECT 61 60 63 CONECT 62 58 CONECT 63 61 70 73 CONECT 64 65 68 69 CONECT 65 64 66 CONECT 66 65 67 CONECT 67 66 58 CONECT 68 64 CONECT 69 64 CONECT 70 63 71 CONECT 71 70 72 CONECT 72 71 74 CONECT 73 63 CONECT 74 72 91 94 CONECT 75 76 79 84 CONECT 76 75 77 CONECT 77 76 78 CONECT 78 77 80 CONECT 79 75 CONECT 80 78 95 98 CONECT 81 82 85 89 CONECT 82 81 83 CONECT 83 82 84 CONECT 84 83 75 CONECT 85 81 CONECT 86 87 90 93 CONECT 87 86 88 CONECT 88 87 89 CONECT 89 88 81 CONECT 90 86 CONECT 91 74 92 CONECT 92 91 93 CONECT 93 92 86 CONECT 94 74 CONECT 95 80 96 CONECT 96 95 97 CONECT 97 96 99 CONECT 98 80 CONECT 99 97 100 103 CONECT 100 99 101 CONECT 101 100 102 CONECT 102 101 104 CONECT 103 99 CONECT 104 102 121 124 CONECT 105 106 109 114 CONECT 106 105 107 CONECT 107 106 108 CONECT 108 107 110 CONECT 109 105 CONECT 110 108 125 128 CONECT 111 112 115 119 CONECT 112 111 113 CONECT 113 112 114 CONECT 114 113 105 CONECT 115 111 CONECT 116 117 120 123 CONECT 117 116 118 CONECT 118 117 119 CONECT 119 118 111 CONECT 120 116 CONECT 121 104 122 CONECT 122 121 123 CONECT 123 122 116 CONECT 124 104 CONECT 125 110 126 CONECT 126 125 127 CONECT 127 126 14 CONECT 128 110 MASTER 0 0 0 0 0 0 0 0 128 0 260 0 END SMILES for NP0091999 (Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O INCHI for NP0091999 (Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol)InChI=1S/C102H170N2O22P2/c1-70(2)35-20-36-71(3)37-21-38-72(4)39-22-40-73(5)41-23-42-74(6)43-24-44-75(7)45-25-46-76(8)47-26-48-77(9)49-27-50-78(10)51-28-52-79(11)53-29-54-80(12)55-30-56-81(13)57-31-58-82(14)59-32-60-83(15)61-33-62-84(16)63-34-64-85(17)65-66-119-127(115,116)126-128(117,118)125-101-92(104-87(19)109)95(112)98(90(69-107)122-101)123-100-91(103-86(18)108)94(111)99(89(68-106)121-100)124-102-97(114)96(113)93(110)88(67-105)120-102/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,85,88-102,105-107,110-114H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-69H2,1-19H3,(H,103,108)(H,104,109)(H,115,116)(H,117,118)/b71-37+,72-39+,73-41+,74-43+,75-45+,76-47+,77-49+,78-51+,79-53+,80-55+,81-57+,82-59+,83-61+,84-63+/t85?,88-,89-,90-,91-,92-,93-,94-,95-,96+,97+,98-,99-,100+,101+,102+/m1/s1 3D Structure for NP0091999 (Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol) | 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Synonyms |
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Chemical Formula | C102H170N2O22P2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1838.3889 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1837.17205 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | {[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}[({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | [(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy(hydroxy)phosphoryl}oxy)phosphinic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C102H170N2O22P2/c1-70(2)35-20-36-71(3)37-21-38-72(4)39-22-40-73(5)41-23-42-74(6)43-24-44-75(7)45-25-46-76(8)47-26-48-77(9)49-27-50-78(10)51-28-52-79(11)53-29-54-80(12)55-30-56-81(13)57-31-58-82(14)59-32-60-83(15)61-33-62-84(16)63-34-64-85(17)65-66-119-127(115,116)126-128(117,118)125-101-92(104-87(19)109)95(112)98(90(69-107)122-101)123-100-91(103-86(18)108)94(111)99(89(68-106)121-100)124-102-97(114)96(113)93(110)88(67-105)120-102/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,85,88-102,105-107,110-114H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-69H2,1-19H3,(H,103,108)(H,104,109)(H,115,116)(H,117,118)/b71-37+,72-39+,73-41+,74-43+,75-45+,76-47+,77-49+,78-51+,79-53+,80-55+,81-57+,82-59+,83-61+,84-63+/t85?,88-,89-,90-,91-,92-,93-,94-,95-,96+,97+,98-,99-,100+,101+,102+/m1/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | WFPHPSFEEKVIHM-OXIGOQSHSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Belongs to the class of organic compounds known as polyprenyl phospho carbohydrates. These are polyprenyl phosphates with a carbohydrate moiety attached to it. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Super Class | Lipids and lipid-like molecules | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Class | Prenol lipids | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Sub Class | Polyprenols | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Direct Parent | Polyprenyl phospho carbohydrates | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Alternative Parents |
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Substituents |
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Molecular Framework | Aliphatic heteromonocyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | HMDB0012255 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | FDB028894 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | ALPHA-D-MANNOSYLCHITOBIO | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 53481395 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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